协同的药物组合为增强治疗功效和减少不良反应提供了巨大的潜力。然而，由于未知的因果疾病信号通路，有效和协同的药物组合预测仍然是一个悬而未决的问题。尽管已经提出了各种深度学习（AI）模型来定量预测药物组合的协同作用。现有深度学习方法的主要局限性是它们本质上是不可解释的，这使得AI模型的结论是对人类专家的非透明度的结论，因此限制了模型结论的鲁棒性和这些模型在现实世界中的实施能力人类医疗保健。在本文中，我们开发了一个可解释的图神经网络（GNN），该神经网络（GNN）揭示了通过挖掘非常重要的亚分子网络来揭示协同（MOS）的基本基本治疗靶标和机制。可解释的GNN预测模型的关键点是一个新颖的图池层，基于自我注意的节点和边缘池（此后为SANEPOOL），可以根据节点特征和图表计算节点和边缘的注意力评分（重要性）拓扑。因此，提出的GNN模型提供了一种系统的方法来预测和解释基于检测到的关键亚分子网络的药物组合协同作用。我们评估了来自NCI Almanac药物组合筛查数据的46个核心癌症信号通路和药物组合的基因制造的分子网络。实验结果表明，1）Sanepool可以在其他流行的图神经网络中实现当前的最新性能； 2）由SANEPOOOL检测到的亚分子网络是可自我解释的，并且可以鉴定协同的药物组合。

图形神经网络（GNNS）最流行的设计范例是1跳消息传递 - 反复反复从1跳邻居聚集特征。但是，1-HOP消息传递的表达能力受Weisfeiler-Lehman（1-WL）测试的界定。最近，研究人员通过同时从节点的K-Hop邻居汇总信息传递到K-HOP消息。但是，尚无分析K-Hop消息传递的表达能力的工作。在这项工作中，我们从理论上表征了K-Hop消息传递的表达力。具体而言，我们首先正式区分了两种k-hop消息传递的内核，它们在以前的作品中经常被滥用。然后，我们通过表明它比1-Hop消息传递更强大，从而表征了K-Hop消息传递的表现力。尽管具有较高的表达能力，但我们表明K-Hop消息传递仍然无法区分一些简单的常规图。为了进一步增强其表现力，我们引入了KP-GNN框架，该框架通过利用每个跳跃中的外围子图信息来改善K-HOP消息。我们证明，KP-GNN可以区分几乎所有常规图，包括一些距离常规图，这些图无法通过以前的距离编码方法来区分。实验结果验证了KP-GNN的表达能力和有效性。 KP-GNN在所有基准数据集中都取得了竞争成果。

Optimization of directed acyclic graph (DAG) structures has many applications, such as neural architecture search (NAS) and probabilistic graphical model learning. Encoding DAGs into real vectors is a dominant component in most neural-network-based DAG optimization frameworks. Currently, most DAG encoders use an asynchronous message passing scheme which sequentially processes nodes according to the dependency between nodes in a DAG. That is, a node must not be processed until all its predecessors are processed. As a result, they are inherently not parallelizable. In this work, we propose a Parallelizable Attention-based Computation structure Encoder (PACE) that processes nodes simultaneously and encodes DAGs in parallel. We demonstrate the superiority of PACE through encoder-dependent optimization subroutines that search the optimal DAG structure based on the learned DAG embeddings. Experiments show that PACE not only improves the effectiveness over previous sequential DAG encoders with a significantly boosted training and inference speed, but also generates smooth latent (DAG encoding) spaces that are beneficial to downstream optimization subroutines. Our source code is available at \url{https://github.com/zehao-dong/PACE}

密集的预期旨在预测未来的行为及其持续的持续时间。现有方法依赖于完全标记的数据，即标有所有未来行动及其持续时间的序列。我们仅使用少量全标记的序列呈现（半）弱监督方法，主要是序列，其中仅标记即将到来的动作。为此，我们提出了一个框架，为未来的行动及其持续时间产生伪标签，并通过细化模块自适应地改进它们。仅考虑到即将到来的动作标签作为输入，这些伪标签指南对未来的动作/持续时间预测。我们进一步设计了注意力机制，以预测背景感知的持续时间。早餐和50salads基准测试的实验验证了我们的方法的效率;与完全监督最先进的模型相比，我们竞争甚至。我们将在：https://github.com/zhanghaotong1/wslvideodenseantication提供我们的代码。

Deep learning models can achieve high accuracy when trained on large amounts of labeled data. However, real-world scenarios often involve several challenges: Training data may become available in installments, may originate from multiple different domains, and may not contain labels for training. Certain settings, for instance medical applications, often involve further restrictions that prohibit retention of previously seen data due to privacy regulations. In this work, to address such challenges, we study unsupervised segmentation in continual learning scenarios that involve domain shift. To that end, we introduce GarDA (Generative Appearance Replay for continual Domain Adaptation), a generative-replay based approach that can adapt a segmentation model sequentially to new domains with unlabeled data. In contrast to single-step unsupervised domain adaptation (UDA), continual adaptation to a sequence of domains enables leveraging and consolidation of information from multiple domains. Unlike previous approaches in incremental UDA, our method does not require access to previously seen data, making it applicable in many practical scenarios. We evaluate GarDA on two datasets with different organs and modalities, where it substantially outperforms existing techniques.

The development of social media user stance detection and bot detection methods rely heavily on large-scale and high-quality benchmarks. However, in addition to low annotation quality, existing benchmarks generally have incomplete user relationships, suppressing graph-based account detection research. To address these issues, we propose a Multi-Relational Graph-Based Twitter Account Detection Benchmark (MGTAB), the first standardized graph-based benchmark for account detection. To our knowledge, MGTAB was built based on the largest original data in the field, with over 1.55 million users and 130 million tweets. MGTAB contains 10,199 expert-annotated users and 7 types of relationships, ensuring high-quality annotation and diversified relations. In MGTAB, we extracted the 20 user property features with the greatest information gain and user tweet features as the user features. In addition, we performed a thorough evaluation of MGTAB and other public datasets. Our experiments found that graph-based approaches are generally more effective than feature-based approaches and perform better when introducing multiple relations. By analyzing experiment results, we identify effective approaches for account detection and provide potential future research directions in this field. Our benchmark and standardized evaluation procedures are freely available at: https://github.com/GraphDetec/MGTAB.

As one of the prevalent methods to achieve automation systems, Imitation Learning (IL) presents a promising performance in a wide range of domains. However, despite the considerable improvement in policy performance, the corresponding research on the explainability of IL models is still limited. Inspired by the recent approaches in explainable artificial intelligence methods, we proposed a model-agnostic explaining framework for IL models called R2RISE. R2RISE aims to explain the overall policy performance with respect to the frames in demonstrations. It iteratively retrains the black-box IL model from the randomized masked demonstrations and uses the conventional evaluation outcome environment returns as the coefficient to build an importance map. We also conducted experiments to investigate three major questions concerning frames' importance equality, the effectiveness of the importance map, and connections between importance maps from different IL models. The result shows that R2RISE successfully distinguishes important frames from the demonstrations.

Compressed videos often exhibit visually annoying artifacts, known as Perceivable Encoding Artifacts (PEAs), which dramatically degrade video visual quality. Subjective and objective measures capable of identifying and quantifying various types of PEAs are critical in improving visual quality. In this paper, we investigate the influence of four spatial PEAs (i.e. blurring, blocking, bleeding, and ringing) and two temporal PEAs (i.e. flickering and floating) on video quality. For spatial artifacts, we propose a visual saliency model with a low computational cost and higher consistency with human visual perception. In terms of temporal artifacts, self-attention based TimeSFormer is improved to detect temporal artifacts. Based on the six types of PEAs, a quality metric called Saliency-Aware Spatio-Temporal Artifacts Measurement (SSTAM) is proposed. Experimental results demonstrate that the proposed method outperforms state-of-the-art metrics. We believe that SSTAM will be beneficial for optimizing video coding techniques.

We propose a distributionally robust return-risk model for Markov decision processes (MDPs) under risk and reward ambiguity. The proposed model optimizes the weighted average of mean and percentile performances, and it covers the distributionally robust MDPs and the distributionally robust chance-constrained MDPs (both under reward ambiguity) as special cases. By considering that the unknown reward distribution lies in a Wasserstein ambiguity set, we derive the tractable reformulation for our model. In particular, we show that that the return-risk model can also account for risk from uncertain transition kernel when one only seeks deterministic policies, and that a distributionally robust MDP under the percentile criterion can be reformulated as its nominal counterpart at an adjusted risk level. A scalable first-order algorithm is designed to solve large-scale problems, and we demonstrate the advantages of our proposed model and algorithm through numerical experiments.

Witnessing the impressive achievements of pre-training techniques on large-scale data in the field of computer vision and natural language processing, we wonder whether this idea could be adapted in a grab-and-go spirit, and mitigate the sample inefficiency problem for visuomotor driving. Given the highly dynamic and variant nature of the input, the visuomotor driving task inherently lacks view and translation invariance, and the visual input contains massive irrelevant information for decision making, resulting in predominant pre-training approaches from general vision less suitable for the autonomous driving task. To this end, we propose PPGeo (Policy Pre-training via Geometric modeling), an intuitive and straightforward fully self-supervised framework curated for the policy pretraining in visuomotor driving. We aim at learning policy representations as a powerful abstraction by modeling 3D geometric scenes on large-scale unlabeled and uncalibrated YouTube driving videos. The proposed PPGeo is performed in two stages to support effective self-supervised training. In the first stage, the geometric modeling framework generates pose and depth predictions simultaneously, with two consecutive frames as input. In the second stage, the visual encoder learns driving policy representation by predicting the future ego-motion and optimizing with the photometric error based on current visual observation only. As such, the pre-trained visual encoder is equipped with rich driving policy related representations and thereby competent for multiple visuomotor driving tasks. Extensive experiments covering a wide span of challenging scenarios have demonstrated the superiority of our proposed approach, where improvements range from 2% to even over 100% with very limited data. Code and models will be available at https://github.com/OpenDriveLab/PPGeo.